[6-(3-bromoanilino)-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone

C17H19BrN4O — CID 75538843

IUPAC[6-(3-bromoanilino)-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
SMILESCc1nc(Nc2cccc(Br)c2)cc(C(=O)N2CCCCC2)n1
InChIInChI=1S/C17H19BrN4O/c1-12-19-15(17(23)22-8-3-2-4-9-22)11-16(20-12)21-14-7-5-6-13(18)10-14/h5-7,10-11H,2-4,8-9H2,1H3,(H,19,20,21)
InChIKeyLICNQEKORMCXTL-UHFFFAOYSA-N
MW375.27 g/mol
LogP3.92
Rot. Bonds3

About [6-(3-bromoanilino)-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone

[6-(3-bromoanilino)-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone (PubChem CID 75538843) has the molecular formula C17H19BrN4O and a molecular weight of 375.27 g/mol. Its IUPAC name is [6-(3-bromoanilino)-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[6-(3-bromoanilino)-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
PubChem CID75538843
Molecular FormulaC17H19BrN4O
Molecular Weight375.27 g/mol
Exact Mass374.07
IUPAC Name[6-(3-bromoanilino)-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
SMILESCc1nc(Nc2cccc(Br)c2)cc(C(=O)N2CCCCC2)n1
InChIInChI=1S/C17H19BrN4O/c1-12-19-15(17(23)22-8-3-2-4-9-22)11-16(20-12)21-14-7-5-6-13(18)10-14/h5-7,10-11H,2-4,8-9H2,1H3,(H,19,20,21)
InChIKeyLICNQEKORMCXTL-UHFFFAOYSA-N
XLogP3.92
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[6-(azepane-1-carbonyl)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112847815
[2-methyl-6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109363719
[6-(3-bromoanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341775
azepan-1-yl-[6-(3,4-dimethylanilino)-2-methylpyrimidin-4-yl]methanone
CID 112847771
azepan-1-yl-[6-(2,3-dimethylanilino)-2-methylpyrimidin-4-yl]methanone
CID 112847774
azepan-1-yl-[6-(4-ethylanilino)-2-methylpyrimidin-4-yl]methanone
CID 112847776
6-(3-bromoanilino)-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 112848016
[2-(3-bromoanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109298556
[6-(3-chloroanilino)-2-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109367097
6-(3-bromoanilino)-N,N-diethyl-2-methylpyrimidine-4-carboxamide
CID 109373487
[6-(4-bromoanilino)-2-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 112847420
2-methyl-6-(3-methylanilino)pyrimidine-4-carboxylic acid
CID 82293662

Frequently Asked Questions

What is the IUPAC name of [6-(3-bromoanilino)-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [6-(3-bromoanilino)-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone (CID 75538843) is [6-(3-bromoanilino)-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [6-(3-bromoanilino)-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [6-(3-bromoanilino)-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone is Cc1nc(Nc2cccc(Br)c2)cc(C(=O)N2CCCCC2)n1.
What is the InChIKey of [6-(3-bromoanilino)-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone?
The InChIKey is LICNQEKORMCXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN4O/c1-12-19-15(17(23)22-8-3-2-4-9-22)11-16(20-12)21-14-7-5-6-13(18)10-14/h5-7,10-11H,2-4,8-9H2,1H3,(H,19,20,21).
What are the key properties of [6-(3-bromoanilino)-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone?
[6-(3-bromoanilino)-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone has a molecular weight of 375.27 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-bromoanilino)-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 75538843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).